Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50029127   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Cholecystokinin type B receptor				Bioorg Med Chem Lett 3: 799-802 (1993) Article DOI: 10.1016/S0960-894X(00)80669-1 BindingDB Entry DOI: 10.7270/Q29S1QZZ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50281634 (3-{(R)-2-Amino-2-[(R)-2-(3-carboxy-propionylamino)...) Show SMILES C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,1.0,wD:1.1,TLB:16:11:19:15.17.14,16:15:10.11.12:19,THB:9:10:19:15.17.14,14:13:10:15.17.16,14:15:10:13.12.19,(2.53,-5.38,;2.53,-3.85,;1.17,-4.57,;2.6,-2.31,;1.29,-1.47,;-.16,-2.01,;-1.11,-.84,;-2.46,-1.57,;-2.49,-3.1,;-3.77,-.78,;-5.12,-1.52,;-5.28,-2.91,;-6.8,-3.17,;-8.17,-2.48,;-9.27,-3.57,;-7.75,-3.24,;-6.4,-3.99,;-7.61,-1.7,;-6.43,-.73,;-7.94,-.96,;-.27,.47,;-.69,1.95,;.4,3.03,;1.9,2.63,;2.29,1.17,;1.2,.07,;3.83,-4.67,;3.76,-6.22,;5.21,-3.96,;6.49,-4.78,;7.86,-4.06,;9.17,-4.89,;10.52,-4.17,;10.59,-2.63,;11.82,-5,;13.18,-4.29,;14.48,-5.1,;15.86,-4.39,;14.48,-6.64,;7.91,-2.54,;9.24,-1.72,;9.19,-.17,;7.84,.54,;6.53,-.28,;6.58,-1.79,)| Show InChI InChI=1S/C35H42N4O6/c1-35(36,33(43)37-19-28(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42)18-26-20-39(29-10-6-5-9-27(26)29)34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21/h2-10,20-22,24-25,28,32H,11-19,36H2,1H3,(H,37,43)(H,38,40)(H,41,42)/t21?,22?,24?,25?,28-,32?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Cholecystokinin type B receptor				Bioorg Med Chem Lett 3: 799-802 (1993) Article DOI: 10.1016/S0960-894X(00)80669-1 BindingDB Entry DOI: 10.7270/Q29S1QZZ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50024320 (CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Cholecystokinin type B receptor				Bioorg Med Chem Lett 3: 799-802 (1993) Article DOI: 10.1016/S0960-894X(00)80669-1 BindingDB Entry DOI: 10.7270/Q29S1QZZ
					More data for this Ligand-Target Pair